Information card for entry 1552781

Structure parameters

• Formula: C40 H20 Co6 O16 P2
• Calculated formula: C40 H20 Co6 O16 P2
• Title of publication: Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co₆X(CO)₁₆]^- Species.
• Authors of publication: Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2018
• Journal volume: 122
• Journal issue: 22
• Pages of publication: 5004 - 5015
• a: 10.0109 ± 0.0004 Å
• b: 20.861 ± 0.0008 Å
• c: 20.4255 ± 0.0008 Å
• α: 90°
• β: 92.176 ± 0.002°
• γ: 90°
• Cell volume: 4262.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No